furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

C24H28N6O2 — CID 46952714

IUPACfuran-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCN1CCN(c2ncc(-c3ccncc3)c(C3CCCN(C(=O)c4ccco4)C3)n2)CC1
InChIInChI=1S/C24H28N6O2/c1-28-11-13-29(14-12-28)24-26-16-20(18-6-8-25-9-7-18)22(27-24)19-4-2-10-30(17-19)23(31)21-5-3-15-32-21/h3,5-9,15-16,19H,2,4,10-14,17H2,1H3
InChIKeyRBOCOPIILLJGHW-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.90
Rot. Bonds4

About furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone

furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 46952714) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID46952714
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Namefuran-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCN1CCN(c2ncc(-c3ccncc3)c(C3CCCN(C(=O)c4ccco4)C3)n2)CC1
InChIInChI=1S/C24H28N6O2/c1-28-11-13-29(14-12-28)24-26-16-20(18-6-8-25-9-7-18)22(27-24)19-4-2-10-30(17-19)23(31)21-5-3-15-32-21/h3,5-9,15-16,19H,2,4,10-14,17H2,1H3
InChIKeyRBOCOPIILLJGHW-UHFFFAOYSA-N
XLogP2.90
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone (CID 46952714) is furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is CN1CCN(c2ncc(-c3ccncc3)c(C3CCCN(C(=O)c4ccco4)C3)n2)CC1.
What is the InChIKey of furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is RBOCOPIILLJGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-28-11-13-29(14-12-28)24-26-16-20(18-6-8-25-9-7-18)22(27-24)19-4-2-10-30(17-19)23(31)21-5-3-15-32-21/h3,5-9,15-16,19H,2,4,10-14,17H2,1H3.
What are the key properties of furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone?
furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 432.53 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46952714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).